Natural Product: NPC97867

Natural Product ID:  NPC97867
Common Name:   Heteronemin
IUPAC Name:   [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate
Synonyms:   Heteronemin
Molecular Formula:   C29H44O6
Standard InCHIKey:  VYIQDOVNWPEWRJ-JVQIYTTCSA-N
Standard InCHI:  InChI=1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,27-,28+,29+/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@@H]2[C@]([C@@H]3C1=CO[C@H]3OC(=O)C)(C)[C@H](O)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO33331 brachiaster sp. Species NA NA Thailand PMID[15497961]
NPO33445 glossodoris atromarginata Species Chromodorididae Eukaryota PMID[10543894]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 30 % 25798528
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 8200 nM 15844941
NPT86 Organism Mycobacterium intracellulare Mycobacterium intracellulare IC50 = 2040 nM 24645629
NPT3973 Individual Protein Endothelial PAS domain-containing protein 1 Homo sapiens EC50 = 1200 nM 12502310
NPT916 Cell Line SK-MEL Homo sapiens IC50 = 15300 nM 4020828
NPT91 Cell Line KB Homo sapiens IC50 = 370 nM 20815366
NPT165 Cell Line HeLa Homo sapiens IC50 = 450 nM 20815366
NPT139 Cell Line HT-29 Homo sapiens IC50 = 390 nM 20815366
NPT983 Protein Complex Nuclear factor NF-kappa-B complex Homo sapiens IC50 = 5000 nM 17512094
NPT457 Cell Line BT-549 Homo sapiens IC50 = 11200 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 3400 nM 8133298
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 3000 nM 22206869
NPT83 Cell Line MCF7 Homo sapiens IC50 = 290 nM 22206869
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 6.25 ug/ml 22168134

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC97867 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9556 High Similarity NPC163902
0.9556 High Similarity NPC246860
0.9231 High Similarity NPC120539
0.9111 High Similarity NPC144069
0.8763 High Similarity NPC219285
0.8763 High Similarity NPC477971
0.8763 High Similarity NPC161527
0.8763 High Similarity NPC477968
0.8763 High Similarity NPC228251
0.8763 High Similarity NPC20113
0.8763 High Similarity NPC477972
0.8454 Intermediate Similarity NPC164750
0.8454 Intermediate Similarity NPC8954
0.8454 Intermediate Similarity NPC94905
0.8351 Intermediate Similarity NPC100892
0.8351 Intermediate Similarity NPC135224
0.8351 Intermediate Similarity NPC477970
0.8351 Intermediate Similarity NPC477969
0.8298 Intermediate Similarity NPC263079
0.8247 Intermediate Similarity NPC189513
0.8247 Intermediate Similarity NPC3359
0.8229 Intermediate Similarity NPC130840
0.8218 Intermediate Similarity NPC177701
0.82 Intermediate Similarity NPC477716
0.82 Intermediate Similarity NPC477721
0.82 Intermediate Similarity NPC146188
0.82 Intermediate Similarity NPC324841
0.8182 Intermediate Similarity NPC51499
0.8155 Intermediate Similarity NPC165405
0.8152 Intermediate Similarity NPC474346
0.8152 Intermediate Similarity NPC213737
0.8152 Intermediate Similarity NPC474284
0.8152 Intermediate Similarity NPC475820
0.8152 Intermediate Similarity NPC474253
0.8137 Intermediate Similarity NPC120009
0.8137 Intermediate Similarity NPC45897
0.8137 Intermediate Similarity NPC281378
0.8125 Intermediate Similarity NPC471371
0.8125 Intermediate Similarity NPC471370
0.8119 Intermediate Similarity NPC477717
0.81 Intermediate Similarity NPC325229
0.81 Intermediate Similarity NPC275086
0.8077 Intermediate Similarity NPC470170
0.8077 Intermediate Similarity NPC470169
0.8077 Intermediate Similarity NPC475074
0.8065 Intermediate Similarity NPC299963
0.8058 Intermediate Similarity NPC222161
0.8043 Intermediate Similarity NPC472504
0.8043 Intermediate Similarity NPC208912
0.8043 Intermediate Similarity NPC2096
0.8039 Intermediate Similarity NPC471363
0.8039 Intermediate Similarity NPC238397
0.802 Intermediate Similarity NPC317019
0.8 Intermediate Similarity NPC477718
0.8 Intermediate Similarity NPC325054
0.8 Intermediate Similarity NPC477719
0.8 Intermediate Similarity NPC473555
0.8 Intermediate Similarity NPC471770
0.8 Intermediate Similarity NPC278939
0.7981 Intermediate Similarity NPC470056
0.7981 Intermediate Similarity NPC470055
0.7979 Intermediate Similarity NPC164424
0.7963 Intermediate Similarity NPC157441
0.7961 Intermediate Similarity NPC134270
0.7961 Intermediate Similarity NPC475889
0.7961 Intermediate Similarity NPC7644
0.7961 Intermediate Similarity NPC7613
0.7961 Intermediate Similarity NPC127933
0.7959 Intermediate Similarity NPC12297
0.7959 Intermediate Similarity NPC26046
0.7959 Intermediate Similarity NPC474835
0.7938 Intermediate Similarity NPC219937
0.7938 Intermediate Similarity NPC123252
0.7938 Intermediate Similarity NPC194485
0.7938 Intermediate Similarity NPC53890
0.7925 Intermediate Similarity NPC206618
0.7925 Intermediate Similarity NPC31522
0.7921 Intermediate Similarity NPC477928
0.7921 Intermediate Similarity NPC157739
0.7917 Intermediate Similarity NPC160304
0.7905 Intermediate Similarity NPC470166
0.79 Intermediate Similarity NPC317573
0.7895 Intermediate Similarity NPC471369
0.7895 Intermediate Similarity NPC168231
0.789 Intermediate Similarity NPC31354
0.789 Intermediate Similarity NPC84949
0.789 Intermediate Similarity NPC471633
0.789 Intermediate Similarity NPC69576
0.7885 Intermediate Similarity NPC201880
0.7885 Intermediate Similarity NPC264867
0.7885 Intermediate Similarity NPC470321
0.7885 Intermediate Similarity NPC81567
0.7885 Intermediate Similarity NPC473207
0.7885 Intermediate Similarity NPC173583
0.7879 Intermediate Similarity NPC105490
0.7879 Intermediate Similarity NPC477722
0.7879 Intermediate Similarity NPC211238
0.7872 Intermediate Similarity NPC471367
0.787 Intermediate Similarity NPC194951
0.787 Intermediate Similarity NPC473125
0.787 Intermediate Similarity NPC12046
0.7864 Intermediate Similarity NPC31085
0.7864 Intermediate Similarity NPC121423
0.7857 Intermediate Similarity NPC329842
0.7857 Intermediate Similarity NPC472811
0.785 Intermediate Similarity NPC177047
0.7843 Intermediate Similarity NPC471247
0.7835 Intermediate Similarity NPC470819
0.783 Intermediate Similarity NPC38948
0.783 Intermediate Similarity NPC90946
0.783 Intermediate Similarity NPC300614
0.783 Intermediate Similarity NPC88744
0.7822 Intermediate Similarity NPC98112
0.7822 Intermediate Similarity NPC274793
0.7818 Intermediate Similarity NPC99620
0.7818 Intermediate Similarity NPC5311
0.7818 Intermediate Similarity NPC193382
0.7818 Intermediate Similarity NPC199428
0.7818 Intermediate Similarity NPC310341
0.781 Intermediate Similarity NPC51719
0.781 Intermediate Similarity NPC252296
0.781 Intermediate Similarity NPC218158
0.781 Intermediate Similarity NPC172867
0.781 Intermediate Similarity NPC473199
0.78 Intermediate Similarity NPC471372
0.78 Intermediate Similarity NPC472189
0.78 Intermediate Similarity NPC471362
0.78 Intermediate Similarity NPC276110
0.7798 Intermediate Similarity NPC44298
0.7798 Intermediate Similarity NPC40133
0.7798 Intermediate Similarity NPC473128
0.7798 Intermediate Similarity NPC49413
0.7798 Intermediate Similarity NPC290608
0.7788 Intermediate Similarity NPC473123
0.7788 Intermediate Similarity NPC473124
0.7788 Intermediate Similarity NPC471467
0.7788 Intermediate Similarity NPC471208
0.7778 Intermediate Similarity NPC472812
0.7778 Intermediate Similarity NPC270586
0.7778 Intermediate Similarity NPC7349
0.7778 Intermediate Similarity NPC470311
0.7778 Intermediate Similarity NPC199543
0.7768 Intermediate Similarity NPC5883
0.7768 Intermediate Similarity NPC44899
0.7768 Intermediate Similarity NPC268326
0.7768 Intermediate Similarity NPC470914
0.7768 Intermediate Similarity NPC153085
0.7768 Intermediate Similarity NPC29639
0.7768 Intermediate Similarity NPC304260
0.7767 Intermediate Similarity NPC144486
0.7766 Intermediate Similarity NPC5280
0.7766 Intermediate Similarity NPC473742
0.7757 Intermediate Similarity NPC471250
0.7757 Intermediate Similarity NPC91583
0.7757 Intermediate Similarity NPC51947
0.7757 Intermediate Similarity NPC475030
0.7757 Intermediate Similarity NPC473844
0.7757 Intermediate Similarity NPC476759
0.7757 Intermediate Similarity NPC473570
0.7757 Intermediate Similarity NPC240125
0.7755 Intermediate Similarity NPC261990
0.7755 Intermediate Similarity NPC10274
0.7755 Intermediate Similarity NPC470817
0.7755 Intermediate Similarity NPC474249
0.7748 Intermediate Similarity NPC142066
0.7748 Intermediate Similarity NPC203862
0.7748 Intermediate Similarity NPC196429
0.7748 Intermediate Similarity NPC309034
0.7748 Intermediate Similarity NPC34390
0.7748 Intermediate Similarity NPC471354
0.7748 Intermediate Similarity NPC157376
0.7748 Intermediate Similarity NPC77319
0.7748 Intermediate Similarity NPC152615
0.7748 Intermediate Similarity NPC471355
0.7748 Intermediate Similarity NPC99728
0.7748 Intermediate Similarity NPC50305
0.7748 Intermediate Similarity NPC290693
0.7748 Intermediate Similarity NPC93883
0.7748 Intermediate Similarity NPC471353
0.7748 Intermediate Similarity NPC87250
0.7748 Intermediate Similarity NPC27507
0.7748 Intermediate Similarity NPC471351
0.7748 Intermediate Similarity NPC158344
0.7748 Intermediate Similarity NPC84987
0.7748 Intermediate Similarity NPC244402
0.7748 Intermediate Similarity NPC473852
0.7748 Intermediate Similarity NPC474418
0.7748 Intermediate Similarity NPC243196
0.7745 Intermediate Similarity NPC278673
0.7745 Intermediate Similarity NPC473154
0.7745 Intermediate Similarity NPC469725
0.7736 Intermediate Similarity NPC184512
0.7736 Intermediate Similarity NPC471205
0.7736 Intermediate Similarity NPC125423
0.7736 Intermediate Similarity NPC234160
0.7736 Intermediate Similarity NPC88013
0.7736 Intermediate Similarity NPC472390
0.7736 Intermediate Similarity NPC109376
0.7723 Intermediate Similarity NPC304899
0.7723 Intermediate Similarity NPC253115

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC97867 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7679 Intermediate Similarity NPD7328 Approved
0.7679 Intermediate Similarity NPD7327 Approved
0.7636 Intermediate Similarity NPD8133 Approved
0.7632 Intermediate Similarity NPD8033 Approved
0.7611 Intermediate Similarity NPD7516 Approved
0.7573 Intermediate Similarity NPD7638 Approved
0.7544 Intermediate Similarity NPD8377 Approved
0.7544 Intermediate Similarity NPD8294 Approved
0.75 Intermediate Similarity NPD7640 Approved
0.75 Intermediate Similarity NPD7639 Approved
0.7478 Intermediate Similarity NPD8296 Approved
0.7478 Intermediate Similarity NPD8335 Approved
0.7478 Intermediate Similarity NPD8379 Approved
0.7478 Intermediate Similarity NPD8380 Approved
0.7478 Intermediate Similarity NPD8378 Approved
0.7339 Intermediate Similarity NPD6686 Approved
0.7328 Intermediate Similarity NPD7503 Approved
0.7327 Intermediate Similarity NPD8034 Phase 2
0.7327 Intermediate Similarity NPD8035 Phase 2
0.7245 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD7507 Approved
0.7049 Intermediate Similarity NPD7319 Approved
0.7037 Intermediate Similarity NPD7632 Discontinued
0.6983 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6964 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6857 Remote Similarity NPD7748 Approved
0.6827 Remote Similarity NPD7515 Phase 2
0.6822 Remote Similarity NPD7902 Approved
0.6804 Remote Similarity NPD7645 Phase 2
0.6786 Remote Similarity NPD6412 Phase 2
0.6777 Remote Similarity NPD8328 Phase 3
0.6735 Remote Similarity NPD6928 Phase 2
0.6735 Remote Similarity NPD7525 Registered
0.6667 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6634 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6606 Remote Similarity NPD4225 Approved
0.6604 Remote Similarity NPD6399 Phase 3
0.6579 Remote Similarity NPD5345 Clinical (unspecified phase)
0.656 Remote Similarity NPD7736 Approved
0.6542 Remote Similarity NPD7900 Approved
0.6542 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6531 Remote Similarity NPD6115 Approved
0.6531 Remote Similarity NPD6697 Approved
0.6531 Remote Similarity NPD6118 Approved
0.6531 Remote Similarity NPD6114 Approved
0.6466 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6449 Remote Similarity NPD8171 Discontinued
0.6429 Remote Similarity NPD6116 Phase 1
0.6356 Remote Similarity NPD6882 Approved
0.6349 Remote Similarity NPD8293 Discontinued
0.6341 Remote Similarity NPD8513 Phase 3
0.6341 Remote Similarity NPD8515 Approved
0.6341 Remote Similarity NPD8516 Approved
0.6341 Remote Similarity NPD8517 Approved
0.6339 Remote Similarity NPD5344 Discontinued
0.6327 Remote Similarity NPD6117 Approved
0.6321 Remote Similarity NPD6051 Approved
0.6311 Remote Similarity NPD7338 Clinical (unspecified phase)
0.629 Remote Similarity NPD6370 Approved
0.6281 Remote Similarity NPD7115 Discovery
0.6281 Remote Similarity NPD6009 Approved
0.6261 Remote Similarity NPD5739 Approved
0.6261 Remote Similarity NPD6402 Approved
0.6261 Remote Similarity NPD6675 Approved
0.6261 Remote Similarity NPD7128 Approved
0.624 Remote Similarity NPD6067 Discontinued
0.6232 Remote Similarity NPD7625 Phase 1
0.6224 Remote Similarity NPD7339 Approved
0.6224 Remote Similarity NPD6942 Approved
0.6218 Remote Similarity NPD6053 Discontinued
0.6214 Remote Similarity NPD3669 Approved
0.6214 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6214 Remote Similarity NPD6695 Phase 3
0.6207 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6204 Remote Similarity NPD7637 Suspended
0.619 Remote Similarity NPD7492 Approved
0.6174 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6162 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4786 Approved
0.6154 Remote Similarity NPD7320 Approved
0.6154 Remote Similarity NPD6881 Approved
0.6154 Remote Similarity NPD6899 Approved
0.6142 Remote Similarity NPD6616 Approved
0.6129 Remote Similarity NPD6054 Approved
0.6129 Remote Similarity NPD6059 Approved
0.6122 Remote Similarity NPD1811 Approved
0.6122 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6122 Remote Similarity NPD1810 Approved
0.6121 Remote Similarity NPD6008 Approved
0.6117 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6117 Remote Similarity NPD3667 Approved
0.6106 Remote Similarity NPD6648 Approved
0.6102 Remote Similarity NPD6372 Approved
0.6102 Remote Similarity NPD6373 Approved
0.6094 Remote Similarity NPD7078 Approved
0.6075 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6068 Remote Similarity NPD5701 Approved
0.6068 Remote Similarity NPD5697 Approved
0.6058 Remote Similarity NPD4788 Approved
0.605 Remote Similarity NPD6883 Approved
0.605 Remote Similarity NPD7290 Approved
0.605 Remote Similarity NPD7102 Approved
0.6038 Remote Similarity NPD3618 Phase 1
0.6033 Remote Similarity NPD4632 Approved
0.6019 Remote Similarity NPD5328 Approved
0.6018 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6017 Remote Similarity NPD6011 Approved
0.6 Remote Similarity NPD8130 Phase 1
0.6 Remote Similarity NPD6869 Approved
0.6 Remote Similarity NPD6617 Approved
0.6 Remote Similarity NPD6650 Approved
0.6 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6 Remote Similarity NPD6649 Approved
0.6 Remote Similarity NPD6847 Approved
0.5981 Remote Similarity NPD7524 Approved
0.5981 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5981 Remote Similarity NPD7750 Discontinued
0.598 Remote Similarity NPD6929 Approved
0.5966 Remote Similarity NPD6013 Approved
0.5966 Remote Similarity NPD6014 Approved
0.5966 Remote Similarity NPD6012 Approved
0.5952 Remote Similarity NPD6921 Approved
0.5952 Remote Similarity NPD6015 Approved
0.5952 Remote Similarity NPD6016 Approved
0.595 Remote Similarity NPD8297 Approved
0.5935 Remote Similarity NPD6940 Discontinued
0.5929 Remote Similarity NPD6084 Phase 2
0.5929 Remote Similarity NPD6083 Phase 2
0.5922 Remote Similarity NPD6930 Phase 2
0.5922 Remote Similarity NPD6931 Approved
0.5909 Remote Similarity NPD6079 Approved
0.5909 Remote Similarity NPD6411 Approved
0.5906 Remote Similarity NPD5988 Approved
0.59 Remote Similarity NPD3703 Phase 2
0.5893 Remote Similarity NPD7991 Discontinued
0.5888 Remote Similarity NPD7521 Approved
0.5888 Remote Similarity NPD6409 Approved
0.5888 Remote Similarity NPD7334 Approved
0.5888 Remote Similarity NPD5330 Approved
0.5888 Remote Similarity NPD7146 Approved
0.5888 Remote Similarity NPD6684 Approved
0.5876 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5873 Remote Similarity NPD6319 Approved
0.5872 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5859 Remote Similarity NPD7604 Phase 2
0.5856 Remote Similarity NPD5778 Approved
0.5856 Remote Similarity NPD4202 Approved
0.5856 Remote Similarity NPD5779 Approved
0.5833 Remote Similarity NPD4250 Approved
0.5833 Remote Similarity NPD4251 Approved
0.5827 Remote Similarity NPD5983 Phase 2
0.5818 Remote Similarity NPD6698 Approved
0.5818 Remote Similarity NPD7838 Discovery
0.5818 Remote Similarity NPD46 Approved
0.5816 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5816 Remote Similarity NPD2687 Approved
0.5816 Remote Similarity NPD2254 Approved
0.5816 Remote Similarity NPD2686 Approved
0.5802 Remote Similarity NPD6033 Approved
0.58 Remote Similarity NPD6924 Approved
0.58 Remote Similarity NPD6926 Approved
0.5789 Remote Similarity NPD4755 Approved
0.5784 Remote Similarity NPD5776 Phase 2
0.5784 Remote Similarity NPD6925 Approved
0.578 Remote Similarity NPD6903 Approved
0.578 Remote Similarity NPD6672 Approved
0.578 Remote Similarity NPD5737 Approved
0.5776 Remote Similarity NPD4159 Approved
0.5769 Remote Similarity NPD7509 Discontinued
0.5769 Remote Similarity NPD6336 Discontinued
0.5766 Remote Similarity NPD7087 Discontinued
0.5758 Remote Similarity NPD4809 Clinical (unspecified phase)
0.5758 Remote Similarity NPD4808 Clinical (unspecified phase)
0.5741 Remote Similarity NPD4249 Approved
0.5728 Remote Similarity NPD7145 Approved
0.5727 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5727 Remote Similarity NPD6101 Approved
0.5726 Remote Similarity NPD5211 Phase 2
0.5725 Remote Similarity NPD8074 Phase 3
0.5714 Remote Similarity NPD6335 Approved
0.5714 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5714 Remote Similarity NPD1780 Approved
0.5714 Remote Similarity NPD1779 Approved
0.5702 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5702 Remote Similarity NPD5222 Approved
0.5702 Remote Similarity NPD4697 Phase 3
0.5702 Remote Similarity NPD5221 Approved
0.5701 Remote Similarity NPD3668 Phase 3
0.5701 Remote Similarity NPD3666 Approved
0.5701 Remote Similarity NPD3133 Approved
0.5701 Remote Similarity NPD3665 Phase 1
0.569 Remote Similarity NPD4696 Approved
0.569 Remote Similarity NPD5286 Approved
0.569 Remote Similarity NPD4700 Approved
0.569 Remote Similarity NPD5285 Approved
0.5688 Remote Similarity NPD3573 Approved
0.5686 Remote Similarity NPD6933 Approved
0.568 Remote Similarity NPD6868 Approved

Structure

External Identifiers

PubChem CID   21589810
ChEMBL   CHEMBL514498
ZINC  

Physicochemical Properties

Molecular Weight:  488.31
ALogP:  0.9756
MLogP:  3.99
XLogP:  7.853
# Rotatable Bonds:  12
Polar Surface Area:  82.06
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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